NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
32341 |
1fv8   |
cing | 2-parsed | STAR | dihedral angle | 56 |
data_1fv8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1fv8
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_1fv8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1fv8
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 1fv8 "Master copy" parsed_1fv8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1fv8
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 1fv8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1fv8 1
1 1fv8.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1fv8 1
1 1fv8.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 9 parsed_1fv8 1
1 1fv8.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1fv8 1
1 1fv8.mr . . XPLOR/CNS 5 planarity "Not applicable" "Not applicable" 0 parsed_1fv8 1
1 1fv8.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1fv8 1
1 1fv8.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 56 parsed_1fv8 1
1 1fv8.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1fv8 1
1 1fv8.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1fv8 1
1 1fv8.mr . . XPLOR/CNS 10 distance NOE simple 0 parsed_1fv8 1
1 1fv8.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 parsed_1fv8 1
1 1fv8.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1fv8 1
1 1fv8.mr . . XPLOR/CNS 13 distance NOE simple 0 parsed_1fv8 1
1 1fv8.mr . . n/a 14 comment "Not applicable" "Not applicable" 0 parsed_1fv8 1
1 1fv8.mr . . "MR format" 15 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1fv8 1
stop_
save_
save_CNS/XPLOR_dihedral_7
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1fv8
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 7
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . . 1 . c4' . 1 . c3' . 1 . o3' . 2 . p parsed_1fv8 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 225.0 325.0 . . 1 . c3' . 1 . o3' . 2 . p . 2 . o5' parsed_1fv8 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 250.0 350.0 . . 1 . o3' . 2 . p . 2 . o5' . 2 . c5' parsed_1fv8 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 225.0 . . 2 . p . 2 . o5' . 2 . c5' . 2 . c4' parsed_1fv8 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 2 . o5' . 2 . c5' . 2 . c4' . 2 . c3' parsed_1fv8 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . . 2 . c4' . 2 . c3' . 2 . o3' . 3 . p parsed_1fv8 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 225.0 325.0 . . 2 . c3' . 2 . o3' . 3 . p . 3 . o5' parsed_1fv8 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 250.0 350.0 . . 2 . o3' . 3 . p . 3 . o5' . 3 . c5' parsed_1fv8 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 225.0 . . 3 . p . 3 . o5' . 3 . c5' . 3 . c4' parsed_1fv8 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 3 . o5' . 3 . c5' . 3 . c4' . 3 . c3' parsed_1fv8 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . . 3 . c4' . 3 . c3' . 3 . o3' . 4 . p parsed_1fv8 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 225.0 325.0 . . 3 . c3' . 3 . o3' . 4 . p . 4 . o5' parsed_1fv8 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 250.0 350.0 . . 3 . o3' . 4 . p . 4 . o5' . 4 . c5' parsed_1fv8 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . . 4 . c4' . 4 . c3' . 4 . o3' . 5 . p parsed_1fv8 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 225.0 325.0 . . 4 . c3' . 4 . o3' . 5 . p . 5 . o5' parsed_1fv8 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 250.0 350.0 . . 4 . o3' . 5 . p . 5 . o5' . 5 . c5' parsed_1fv8 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 225.0 . . 5 . p . 5 . o5' . 5 . c5' . 5 . c4' parsed_1fv8 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 5 . o5' . 5 . c5' . 5 . c4' . 5 . c3' parsed_1fv8 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 225.0 325.0 . . 5 . c3' . 5 . o3' . 6 . p . 6 . o5' parsed_1fv8 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 250.0 350.0 . . 5 . o3' . 6 . p . 6 . o5' . 6 . c5' parsed_1fv8 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 225.0 325.0 . . 6 . c3' . 6 . o3' . 7 . p . 7 . o5' parsed_1fv8 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 250.0 350.0 . . 6 . o3' . 7 . p . 7 . o5' . 7 . c5' parsed_1fv8 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 225.0 . . 7 . p . 7 . o5' . 7 . c5' . 7 . c4' parsed_1fv8 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 7 . o5' . 7 . c5' . 7 . c4' . 7 . c3' parsed_1fv8 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 225.0 325.0 . . 7 . c3' . 7 . o3' . 8 . p . 8 . o5' parsed_1fv8 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 250.0 350.0 . . 7 . o3' . 8 . p . 8 . o5' . 8 . c5' parsed_1fv8 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 225.0 325.0 . . 8 . c3' . 8 . o3' . 9 . p . 9 . o5' parsed_1fv8 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 250.0 350.0 . . 8 . o3' . 9 . p . 9 . o5' . 9 . c5' parsed_1fv8 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 225.0 . . 9 . p . 9 . o5' . 9 . c5' . 9 . c4' parsed_1fv8 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 9 . o5' . 9 . c5' . 9 . c4' . 9 . c3' parsed_1fv8 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . . 9 . c4' . 9 . c3' . 9 . o3' . 10 . p parsed_1fv8 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 225.0 325.0 . . 9 . c3' . 9 . o3' . 10 . p . 10 . o5' parsed_1fv8 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 250.0 350.0 . . 9 . o3' . 10 . p . 10 . o5' . 10 . c5' parsed_1fv8 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 225.0 . . 10 . p . 10 . o5' . 10 . c5' . 10 . c4' parsed_1fv8 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 10 . o5' . 10 . c5' . 10 . c4' . 10 . c3' parsed_1fv8 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . . 10 . c4' . 10 . c3' . 10 . o3' . 11 . p parsed_1fv8 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 225.0 325.0 . . 10 . c3' . 10 . o3' . 11 . p . 11 . o5' parsed_1fv8 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 160.0 . . 1 . c5' . 1 . c4' . 1 . c3' . 1 . o3' parsed_1fv8 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 160.0 . . 2 . c5' . 2 . c4' . 2 . c3' . 2 . o3' parsed_1fv8 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 160.0 . . 3 . c5' . 3 . c4' . 3 . c3' . 3 . o3' parsed_1fv8 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 160.0 . . 4 . c5' . 4 . c4' . 4 . c3' . 4 . o3' parsed_1fv8 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 175.0 . . 5 . c5' . 5 . c4' . 5 . c3' . 5 . o3' parsed_1fv8 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 175.0 . . 7 . c5' . 7 . c4' . 7 . c3' . 7 . o3' parsed_1fv8 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 160.0 . . 8 . c5' . 8 . c4' . 8 . c3' . 8 . o3' parsed_1fv8 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 160.0 . . 9 . c5' . 9 . c4' . 9 . c3' . 9 . o3' parsed_1fv8 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 160.0 . . 10 . c5' . 10 . c4' . 10 . c3' . 10 . o3' parsed_1fv8 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 160.0 . . 11 . c5' . 11 . c4' . 11 . c3' . 11 . o3' parsed_1fv8 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -45.0 . . 1 . o4' . 1 . c1' . 1 . N1 . 1 . c2 parsed_1fv8 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -45.0 . . 2 . o4' . 2 . c1' . 2 . N9 . 2 . c4 parsed_1fv8 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -45.0 . . 3 . o4' . 3 . c1' . 3 . N1 . 3 . c2 parsed_1fv8 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -45.0 . . 4 . o4' . 4 . c1' . 4 . N1 . 4 . c2 parsed_1fv8 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -45.0 . . 5 . o4' . 5 . c1' . 5 . N9 . 5 . c4 parsed_1fv8 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -45.0 . . 8 . o4' . 8 . c1' . 8 . N9 . 8 . c4 parsed_1fv8 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -45.0 . . 9 . o4' . 9 . c1' . 9 . N9 . 9 . c4 parsed_1fv8 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -45.0 . . 10 . o4' . 10 . c1' . 10 . N1 . 10 . c2 parsed_1fv8 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -45.0 . . 11 . o4' . 11 . c1' . 11 . N9 . 11 . c4 parsed_1fv8 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
dihedral restraints on epsilon, zeta, alpha and beta.
STRAND 1
EPSILON;BETA;ZETA;ALPHA. Description du squelette phosphodiester
;
2 1 5 66 parsed_1fv8 1
2
;
dihedral restrainst on delta from 1'2' coupling constants
constrained to greater than 110; DELTA
;
141 1 142 40 parsed_1fv8 1
3
;
Angle de Torsion glycosidique
Les distances H1'-H6/H8 indiquent des conformations en anti
;
175 1 176 61 parsed_1fv8 1
stop_
save_
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